4',5-Diformyl-2-methoxydiphenylether
PubChem CID: 11065027
Connections displayed (default: 10).
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| Compound Synonyms | 4',5-diformyl-2-methoxydiphenylether |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-formylphenoxy)-4-methoxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YAYLLPIGVCCHJD-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.464 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.655 |
| Compound Name | 4',5-Diformyl-2-methoxydiphenylether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9773618210526314 |
| Inchi | InChI=1S/C15H12O4/c1-18-14-7-4-12(10-17)8-15(14)19-13-5-2-11(9-16)3-6-13/h2-10H,1H3 |
| Smiles | COC1=C(C=C(C=C1)C=O)OC2=CC=C(C=C2)C=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viscum Multinerve (Plant) Rel Props:Source_db:cmaup_ingredients